SCHEMBL2243262

SCHEMBL2243262

CCC(NC(=O)OCc1ccccc1)C1(C)CCC2(CC1)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.46
CTSK P43235 3/20 0.45
ATM Q13315 1/20 0.45
CTRB1 P17538 2/20 0.44
CYP3A4 P08684 7/20 0.43
TSHR P16473 6/20 0.43
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CASP1 P29466 1/20 0.43
CYP2C9 P11712 4/20 0.43
CYP2C19 P33261 3/20 0.43
CTSL P07711 2/20 0.43
CTSS P25774 2/20 0.43
CTSB P07858 1/20 0.43
CYP1A2 P05177 2/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7950561 0.83 SYK (0.48) SYKCTSKATMCTRB1CYP3A4
SCHEMBL1551149 0.83 CTSK (0.42) SYKCTSKATMCYP3A4TSHR
SCHEMBL1557203 0.82 ATM (0.47) SYKCTSKATMCYP3A4TSHR
SCHEMBL1551802 0.81 CYP3A4 (0.47) SYKCTSKCYP3A4TSHRALDH1A1
SCHEMBL2990558 0.79 CTSB (0.46) CTSKATMCYP3A4TSHRALDH1A1
SCHEMBL31206043 0.76 CYP1A2 (0.49) CTSKATMCYP3A4TSHRALDH1A1
SCHEMBL19176803 0.76 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL5605686 0.75 CASP1 (0.51) ATMCTRB1CYP3A4TSHRALDH1A1
SCHEMBL754281 0.75 CYP3A4 (0.46) ATMCYP3A4TSHRALDH1A1MEN1
SCHEMBL18526739 0.75 CYP3A4 (0.46) ATMCYP3A4TSHRALDH1A1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313374-B1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI SA (FR) 2013-09-18 EP disclosed
EP-2313374-B1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI SA (FR) 2013-09-18 EP disclosed
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-05-02 US disclosed
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-05-02 US disclosed
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-05-02 US disclosed
US-8399482-B2 6-substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-03-19 US disclosed
US-8399482-B2 6-substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-03-19 US disclosed
US-8399482-B2 6-substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-03-19 US disclosed
US-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
US-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
US-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
WO-2009156099-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2009-12-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES MYLK2, MYLK, MYLK3 SYK 1027/4885CTSK 3943/4885ATM 1072/4885
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones MYLK2, MYLK, MYLK3 SYK 913/4885CTSK 4069/4885ATM 1172/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.